SCHEMBL2065619

SCHEMBL2065619

C=CCC(Cc1ccccc1)C([NH])=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CPA1 P15085 7/20 0.47
CPA3 P15088 3/20 0.47
FOLH1 Q04609 2/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
CYP2C19 P33261 1/20 0.46
MME P08473 3/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL252900 0.86 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9007628 0.86 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL629350 0.86 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL2361534 0.83 CYP1A2 (0.53) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL8144720 0.83 CYP1A2 (0.53) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11324047 0.83 CYP1A2 (0.53) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL435251 0.80 CYP1A2 (0.50) CYP1A2CYP2C19
SCHEMBL6542596 0.80 HDAC3 (0.52) CYP1A2MME
SCHEMBL7319419 0.79 CYP1A2 (0.49) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9007635 0.79 CYP1A2 (0.49) CYP1A2CPA1CPA3FOLH1CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148419-B2 N-(1-alkyl-2-phenylethyl)-carboxamide derivatives and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
US-8148419-B2 N-(1-alkyl-2-phenylethyl)-carboxamide derivatives and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
EP-1960379-B1 N-(1-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-06-30 EP disclosed
US-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-15 US disclosed
US-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-15 US disclosed
EP-1792901-A1 N-(1-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES Bayer CropScience S.A. (FR) 2007-06-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090258912-A1 N-(1-Alkyl-2-Phenylethyl)-Carboxamide Derivatives and Use Thereof as Fungicides CYP1A2, CYP51A1, CYP1A1 CYP1A2 1/4885CPA1 687/4885CPA3 2586/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.